input word = C00004240

Metabolite InformationStructural formula
Name Pectolinarin
Formula C29H34O15
Mw 622.18977042
CAS RN 28978-02-1
C_ID C00004240 ,
InChIKey DUXQKCCELUKXOE-BATVZXCDNA-N
InChICode InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18-,20-,21+,23-,24-,25+,26-,28+,29+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucridium parvifolium Ref.
PlantaePlantaginaceaeKickxia ramosissima Ref.
PlantaePlantaginaceaeLinaria vulgaris Ref.
PlantaeVerbenaceaeDuranta plumieri Ref.
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